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Common name


yishijing

Formula


C18H20N2O2

CAS


112225-87-3

IUPAC name


benzoic acid 2-benzoyl-1-(1,1-dimethylethyl)hydrazide

SMILES


CC(C)(C)N(C(=O)c1ccccc1)NC(=O)c1ccccc1

INCHI


InChI=1S/C18H20N2O2/c1-18(2,3)20(17(22)15-12-8-5-9-13-15)19-16(21)14-10-6-4-7-11-14/h4-13H,1-3H3,(H,19,21)

Physicochemical Properties

Molecular weight:

296.364

Molar refractivity:

81.858

Num. bonds:

23

Num. double bonds:

10

Num. triple bonds:

0

Num. heavy atoms:

22

Num. nitrogen atom:

2

Num. oxygen atoms:

2

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

2

Num. H-bond donors:

1

Complexity of system:

67.04

Lipophilicity

ALogP:

3.403

MLogP:

3

XLogP:

2.653

Water Solubility

CLogS:

-3.405

Geometric

PPSA-1:

418.174

PNSA-1:

188.891

RPCS:

1.901

RNCS:

2.581

THSA:

550.541

TPSA:

56.523

RHSA:

0.907

RPSA:

0.093

Electrostatic

RPCG:

0.158

RNCG:

0.155

Flexibility

Num. Rot. bonds:

4

Frac. of Rot. bonds:

0.174

Photostability

Num. arom. bonds:

14

Num. arom. atoms:

14

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

6

topoDiameter:

11

TopoPSA:

34.14
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.154

QEI:

0.631

Gau:

6.081